%chk=000045316.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000045316

0 1
 O    1.023700      -1.926700     -0.9704000    
 O    3.715300      -1.760600     -0.8140000    
 O    4.922000      0.4505000      0.3089000    
 O   -4.317900     -0.7694000      -1.716800    
 N   -1.469100       3.320900      -1.804000    
 N   -4.952100      -1.343200      0.9296000    
 C  -0.7501000       2.368900     -0.9436000    
 C  -0.2299000       3.188600      0.2654000    
 C   0.5488000       2.423700       1.346200    
 C   -1.510700       1.078900     -0.5639000    
 C    1.392600       1.301500      0.7960000    
 C   0.7697000      0.1673000      0.2313000    
 C  -0.7192000      9.4099998E-02  0.1996000    
 C    1.555700     -0.8611000     -0.3083000    
 C    2.790400       1.379500      0.8207000    
 C   -2.757200      0.8389000      -1.014700    
 C   -1.234200     -0.8428000       1.019000    
 C    2.947000     -0.7698000     -0.2756000    
 C    3.562500      0.3463000      0.2887000    
 C   -3.602900     -0.3627000     -0.8030000    
 C   -2.614500      -1.102200       1.336600    
 C   -3.695000     -0.9517000      0.5592000    
 C   0.8575000      -1.788700      -2.376500    
 C    3.583200      -3.062100     -0.2483000    
 C    5.596500     -8.5400000E-02   1.445700    
 C   -5.412200      -1.332900       2.292100    
 H   0.1172000       2.067100      -1.546300    
 H   -1.060900       3.713000      0.7569000    
 H   0.4329000       3.975400     -0.1239000    
 H  -0.1469000       2.013800       2.090000    
 H    1.172000       3.134000       1.904400    
 H    3.280700       2.251100       1.247800    
 H   -3.250400       1.555900      -1.665900    
 H   -1.756600       2.867200      -2.669200    
 H   -2.311300       3.652900      -1.337200    
 H  -0.5587000      -1.481200       1.591000    
 H   -2.732500      -1.558300       2.318700    
 H   -5.663500      -1.309100      0.2052000    
 H   0.2191000     -0.9314000      -2.612500    
 H    1.825600      -1.680700      -2.875500    
 H   0.3737000      -2.694000      -2.753600    
 H    4.568000      -3.538200     -0.2656000    
 H    2.904300      -3.667800     -0.8548000    
 H    3.238300      -3.030100      0.7912000    
 H    5.279400      0.4307000       2.357400    
 H    6.670500      7.0000000E-02   1.311400    
 H    5.407300      -1.159400       1.537100    
 H   -4.949900      -2.137300       2.873100    
 H   -6.494900      -1.492900       2.315400    
 H   -5.207200     -0.3728000       2.777300    


%chk=000045316-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000045316

0 1
O 0.994012 -1.976808 -0.469306
O 3.774150 -1.784022 -0.329338
O 4.949478 0.742032 0.742304
O -5.249920 1.065813 -0.291706
N -1.297099 3.090787 -2.272104
N -5.138729 -1.138003 0.998525
C -0.662558 2.362688 -1.169921
C -0.113013 3.402799 -0.152735
C 0.493228 2.750449 1.120035
C -1.517197 1.275730 -0.440956
C 1.350596 1.542206 0.783206
C 0.717371 0.338227 0.334322
C -0.780654 0.240561 0.249597
C 1.557003 -0.761309 0.009605
C 2.750150 1.600601 0.900421
C -2.906919 1.412202 -0.545550
C -1.362826 -0.870644 0.900115
C 2.975156 -0.708275 0.127672
C 3.580920 0.493867 0.592033
C -4.035914 0.659467 -0.060399
C -2.708682 -1.262678 1.091048
C -3.904516 -0.625228 0.702152
C 0.827299 -1.996642 -1.938279
C 3.634317 -3.051116 0.424014
C 5.912882 -0.364180 0.872837
C -5.403518 -2.373055 1.724490
H 0.212899 1.832623 -1.594537
H -0.935684 4.084574 0.146906
H 0.645105 4.009266 -0.681496
H -0.331791 2.439888 1.789391
H 1.088297 3.504291 1.665921
H 3.240603 2.513022 1.254239
H -3.249532 2.275692 -1.133087
H -1.652351 2.513237 -3.038798
H -1.950710 3.828927 -1.996295
H -0.636816 -1.560997 1.345789
H -2.830198 -2.200146 1.649566
H -5.897907 -0.530009 0.643255
H 0.144521 -1.186546 -2.258896
H 1.808814 -1.887881 -2.436272
H 0.383485 -2.975244 -2.177782
H 4.285887 -3.772227 -0.093695
H 2.586222 -3.393591 0.405487
H 3.976373 -2.917349 1.469791
H 5.617043 -1.052911 1.687491
H 6.861601 0.131102 1.132300
H 6.006663 -0.927208 -0.068470
H -4.970949 -3.253097 1.207875
H -6.492567 -2.520919 1.799896
H -4.987925 -2.342267 2.751640


